Test_PolicyGuidedTreeSearch.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "#Use CPU\n",
    "# %env CUDA_DEVICE_ORDER=PCI_BUS_ID #remove if TF-CPU\n",
    "# %env CUDA_VISIBLE_DEVICES=-1 #remove if TF-CPU"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "import pandas as pd\n",
    "import numpy as np\n",
    "import matplotlib.pyplot as plt\n",
    "import pickle\n",
    "import hashlib\n",
    "import itertools\n",
    "from rdkit import Chem"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "Using TensorFlow backend.\n"
     ]
    }
   ],
   "source": [
    "from aizynthfinder import AiZynthFinder"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [],
   "source": [
    "finder = AiZynthFinder()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Loading Stockfile: /projects/mai/synthesisplanning/data/stocks/Enamine_BBstock_all.h5\n"
     ]
    }
   ],
   "source": [
    "finder.load_stock(\"test_stock\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Loading Policy: /projects/mai/knwb390_thakkar/synthesis_planning/fulldata_03_05_19_rdchiral/rehashed_models/full_uspto_03_05_19_fp2048m3s0/checkpoints/weights.hdf5\n",
      "Loading Templates: /projects/mai/knwb390_thakkar/synthesis_planning/fulldata_03_05_19_rdchiral/rehashed_data/usptofp2048m3s0/full_uspto_03_05_19_rdchiral_template_library.csv.hdf\n"
     ]
    }
   ],
   "source": [
    "policy_files =  ( #Path to policy model file as .hdf,\n",
    "                #Path to template library file as .hdf)\n",
    "finder.policy_files = policy_files\n",
    "finder.load_policy()\n",
    "finder.policy.use_prior = True\n",
    "finder.policy.cutoff_cumulative = 0.995\n",
    "finder.policy.cutoff_number = 50 #number of templates to examine \n",
    "finder.time_limit = 120 #in seconds"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Defining tree root: Cc1cccc(C)c1N(CC(=O)Nc1ccc(-c2ncon2)cc1)C(=O)C1CCS(=O)(=O)CC1\n",
      "Starting search\n",
      "................................................................................ \n",
      "....................Search completed\n",
      "Analyzing_routes\n",
      "Best Score 0.97\n",
      "---SMILES---\n",
      "CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=C(C=C2)C3=NOC=N3)C(=O)C4CCS(=O)(=O)CC4\n",
      "\n",
      "---Compounds to Purchase---\n"
     ]
    },
    {
     "data": {
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\n",
      "text/plain": [
       "<PIL.PngImagePlugin.PngImageFile image mode=RGB size=1200x200 at 0x7F66A88FD550>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "---Route---\n",
      "([NH2;D1;+0:1]-[c:2])>>(O=[N+;H0;D3:1](-[O-])-[c:2])\n",
      "Cc1cccc(C)c1[N+](=O)[O-]>>Cc1cccc(C)c1N\n",
      "\n",
      "([NH2;D1;+0:1]-[c:2])>>(O=[N+;H0;D3:1](-[O-])-[c:2])\n",
      "O=[N+]([O-])c1ccc(-c2ncon2)cc1>>Nc1ccc(-c2ncon2)cc1\n",
      "\n",
      "([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[NH;D2;+0:4]-[c:5])>>(Br-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([NH2;D1;+0:4]-[c:5])\n",
      "Nc1ccc(-c2ncon2)cc1.O=C(Br)CBr>>O=C(CBr)Nc1ccc(-c2ncon2)cc1\n",
      "\n",
      "([#7:3]-[C:2](=[O;D1;H0:4])-[CH2;D2;+0:1]-[NH;D2;+0:5]-[c:6])>>(Br-[CH2;D2;+0:1]-[C:2](-[#7:3])=[O;D1;H0:4]).([NH2;D1;+0:5]-[c:6])\n",
      "Cc1cccc(C)c1N.O=C(CBr)Nc1ccc(-c2ncon2)cc1>>Cc1cccc(C)c1NCC(=O)Nc1ccc(-c2ncon2)cc1\n",
      "\n",
      "([C:4]-[N;H0;D3;+0:5](-[c:6])-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[NH;D2;+0:5]-[c:6])\n",
      "Cc1cccc(C)c1NCC(=O)Nc1ccc(-c2ncon2)cc1.O=C(O)C1CCS(=O)(=O)CC1>>Cc1cccc(C)c1N(CC(=O)Nc1ccc(-c2ncon2)cc1)C(=O)C1CCS(=O)(=O)CC1\n",
      "\n",
      "\n",
      "---Time to Solved---\n",
      "24.525826454162598\n",
      "\n",
      "---Solved---\n",
      "Unsolved\n",
      "\n",
      "---Number of Steps---\n",
      "5\n",
      "\n"
     ]
    }
   ],
   "source": [
    "n = 100 #max 100\n",
    " \n",
    "smiles = 'CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=C(C=C2)C3=NOC=N3)C(=O)C4CCS(=O)(=O)CC4' #Amenamevir\n",
    "finder.target_smiles = smiles\n",
    "finder.prepare_tree()\n",
    "result = finder.tree_search(stop_when_solved=False)\n",
    "route = finder.extract_route()\n",
    "steps = len(route[0])\n",
    "result.append(steps)\n",
    "print('---SMILES---')\n",
    "print(str(smiles + '\\n'))\n",
    "print('---Compounds to Purchase---')\n",
    "route[1][0].state.display()\n",
    "print('---Route---')\n",
    "print(finder.route_to_text(route) + '\\n')\n",
    "print('---Time to Solved---')\n",
    "print(str(result[0]) + '\\n')\n",
    "print('---Solved---')\n",
    "if result[1] == 1:\n",
    "    print('Solved' + '\\n')\n",
    "else:\n",
    "    print('Unsolved' + '\\n')\n",
    "print('---Number of Steps---')\n",
    "print(str(result[-1]) + '\\n')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<H2>Solved"
      ],
      "text/plain": [
       "<IPython.core.display.HTML object>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "text/plain": [
       "'Route Score: 0.975'"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "text/html": [
       "<H2>Compounds to Procure"
      ],
      "text/plain": [
       "<IPython.core.display.HTML object>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<PIL.PngImagePlugin.PngImageFile image mode=RGB size=1200x200 at 0x7F67EE624F28>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "text/html": [
       "<H2>Steps"
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       "<IPython.core.display.HTML object>"
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     "metadata": {},
     "output_type": "display_data"
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     "data": {
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\n",
      "text/plain": [
       "<rdkit.Chem.rdChemReactions.ChemicalReaction at 0x7f66a87dd800>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdChemReactions.ChemicalReaction at 0x7f66a1724da0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdChemReactions.ChemicalReaction at 0x7f66a1724da0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdChemReactions.ChemicalReaction at 0x7f66a1724da0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdChemReactions.ChemicalReaction at 0x7f66a1724da0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "finder.display_route(route)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "synthplan (conda, py3.6.8)",
   "language": "python",
   "name": "synthplan"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 3
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
   "version": "3.6.8"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 2
}